Information card for entry 4072435

Structure parameters

• Formula: C21.25 H33.5 Cl2.5 N O1.5 P Pd
• Calculated formula: C21.25 H32.5 Cl2.5 N O1.5 P Pd
• Title of publication: Dramatic Stereo- and Enantiodivergency in the Intermolecular Asymmetric Heck Reaction Catalyzed by Palladium Complexes with Cyclopropane-Based PHOX Ligands
• Authors of publication: Rubina, Marina; Sherrill, William M.; Rubin, Michael
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6393
• a: 17.1172 ± 0.0012 Å
• b: 17.4726 ± 0.0012 Å
• c: 33.072 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9891.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No